N-ethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide

C15H24F3N5S — CID 109378448

IUPACN-ethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1cnc(C)s1)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C15H24F3N5S/c1-4-19-14(21-10-13-9-20-12(3)24-13)23-7-5-22(6-8-23)11(2)15(16,17)18/h9,11H,4-8,10H2,1-3H3,(H,19,21)
InChIKeyIUFDDAQSNWRGPU-UHFFFAOYSA-N
MW363.45 g/mol
LogP2.49
Rot. Bonds4

About N-ethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide

N-ethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (PubChem CID 109378448) has the molecular formula C15H24F3N5S and a molecular weight of 363.45 g/mol. Its IUPAC name is N-ethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
PubChem CID109378448
Molecular FormulaC15H24F3N5S
Molecular Weight363.45 g/mol
Exact Mass363.17
IUPAC NameN-ethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1cnc(C)s1)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C15H24F3N5S/c1-4-19-14(21-10-13-9-20-12(3)24-13)23-7-5-22(6-8-23)11(2)15(16,17)18/h9,11H,4-8,10H2,1-3H3,(H,19,21)
InChIKeyIUFDDAQSNWRGPU-UHFFFAOYSA-N
XLogP2.49
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-ethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (CID 109378448) is N-ethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is CCN/C(=N\Cc1cnc(C)s1)N1CCN(C(C)C(F)(F)F)CC1.
What is the InChIKey of N-ethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The InChIKey is IUFDDAQSNWRGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N5S/c1-4-19-14(21-10-13-9-20-12(3)24-13)23-7-5-22(6-8-23)11(2)15(16,17)18/h9,11H,4-8,10H2,1-3H3,(H,19,21).
What are the key properties of N-ethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
N-ethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide has a molecular weight of 363.45 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 109378448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).